200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 400085-22-5
400085-22-5 | 1-(3,4-dimethoxyphenyl)-4-methyl-4-nitropentan-1-one
CAS No: 400085-22-5 Catalog No: AG00IQ1O MDL No:MFCD01936378
Product Description
Catalog Number:
AG00IQ1O
Chemical Name:
1-(3,4-dimethoxyphenyl)-4-methyl-4-nitropentan-1-one
CAS Number:
400085-22-5
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
MDL Number:
MFCD01936378
IUPAC Name:
1-(3,4-dimethoxyphenyl)-4-methyl-4-nitropentan-1-one
InChI:
InChI=1S/C14H19NO5/c1-14(2,15(17)18)8-7-11(16)10-5-6-12(19-3)13(9-10)20-4/h5-6,9H,7-8H2,1-4H3
InChI Key:
XJIMWGNJYUVAKD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)CCC([N+](=O)[O-])(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.